156-38-7

Product Name: 4-Hydroxyphenylacetic acid

Formula: C8H8O3

Inquiry

CHEMICAL AND PHYSICAL PROPERTIES SAFETY INFORMATION COMPUTED DESCRIPTORS PRODUCT INTRODUCTION RELATED SUPPLIERS

CHEMICAL AND PHYSICAL PROPERTIES

Physical Description	Off-white crystalline powder; [Alfa Aesar MSDS]
Melting Point	148 - 150 °C
Solubility	60.7 mg/mL
Vapor Pressure	0.0000555 [mmHg]
LogP	0.75
Collision Cross Section	126.65 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]
Kovats Retention Index	1557.8 1545
Chemical Classes	Other Classes -> Other Aromatic Compounds

SAFETY INFORMATION

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07
GHS Hazard Statements	H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes	P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight	152.15 g/mol
XLogP3	0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	152.047344113 g/mol
Monoisotopic Mass	152.047344113 g/mol
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	136
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

PRODUCT INTRODUCTION

description

4-Hydroxyphenylacetic acid (4-HPAA) is a major microbial metabolite of polyphenols. 4-HPAA can be esterified with various alcohols to synthesise esters, and is also used as a reagent for the acylation of phenols and amines. In experimental studies, 4-HPAA was found to induce the expression of Nrf2.